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BMRB Entry 17723

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR17723
MolProbity Validation Chart

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Title: Chemical Shift Assignment and Solution Structure of ChR145 from Cytophaga Hutchinsonii. Northeast Structural Genomics Consortium Target ChR145.

Deposition date: 2011-06-21 Original release date: 2011-08-16

Authors: Lee, Hsiau-Wei; Lee, Dan; Ciccosanti, Colleen; Mao, Lei; Nair, R.; Rost, Burkhard; Acton, Thomas; Xiao, Rong; Everett, John; Montelione, Gaetano; Prestegard, James

Citation: Lee, Hsiau-Wei; Montelione, Gaetano; Prestegard, James. "Solution Structure of ChR145."  Not known ., .-..

Assembly members:
ChR145, polymer, 146 residues, 16816.273 Da.

Natural source:   Common Name: Cytophaga Hutchinsonii   Taxonomy ID: 985   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Cytophaga Hutchinsonii

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli

Entity Sequences (FASTA):
ChR145: MEIKLIAQVKTVINAPIEKV WEALVNPEIIKEYMFGTTVV SDWKEGSQIVWKGEWKGKAY EDKGTILQFNERSILQYSHF SPLTGKPDLPENYHVVTITL TALKKGVEVELTQDNNETEK EQKHSEDNWNTMLEGLKKFL ENKVSA

Data sets:
Data typeCount
13C chemical shifts616
15N chemical shifts152
1H chemical shifts931
residual dipolar couplings328

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1ChR1451

Entities:

Entity 1, ChR145 146 residues - 16816.273 Da.

LEHHHHHH are part of the C-terminal and not included in the coordinate.

1   METGLUILELYSLEUILEALAGLNVALLYS
2   THRVALILEASNALAPROILEGLULYSVAL
3   TRPGLUALALEUVALASNPROGLUILEILE
4   LYSGLUTYRMETPHEGLYTHRTHRVALVAL
5   SERASPTRPLYSGLUGLYSERGLNILEVAL
6   TRPLYSGLYGLUTRPLYSGLYLYSALATYR
7   GLUASPLYSGLYTHRILELEUGLNPHEASN
8   GLUARGSERILELEUGLNTYRSERHISPHE
9   SERPROLEUTHRGLYLYSPROASPLEUPRO
10   GLUASNTYRHISVALVALTHRILETHRLEU
11   THRALALEULYSLYSGLYVALGLUVALGLU
12   LEUTHRGLNASPASNASNGLUTHRGLULYS
13   GLUGLNLYSHISSERGLUASPASNTRPASN
14   THRMETLEUGLUGLYLEULYSLYSPHELEU
15   GLUASNLYSVALSERALA

Samples:

NC1: ChR145, [U-100% 13C; U-100% 15N], 0.85 mM; sodium azide 0.2%; DTT 5 mM; CaCl2 5 mM; sodium chloride 200 mM; MES 20 mM; H2O 95%; D2O 5%

Phage: ChR145, [U-100% 13C; U-100% 15N], 0.57 mM; sodium azide 0.2%; DTT 5 mM; CaCl2 5 mM; sodium chloride 200 mM; MES 20 mM; Pf1 phage 12.5 mg; H2O 95%; D2O 5%

Peg: ChR145, [U-100% 13C; U-100% 15N], 0.57 mM; sodium azide 0.2%; DTT 5 mM; CaCl2 5 mM; sodium chloride 200 mM; MES 20 mM; C12E5/Hexanol 4%; H2O 95%; D2O 5%

Neutral_Gel: ChR145, [U-100% 13C; U-100% 15N], 0.85 mM; sodium azide 0.2%; DTT 5 mM; CaCl2 5 mM; sodium chloride 200 mM; MES 20 mM; Polyacrylamide 5%; H2O 95%; D2O 5%

sample_conditions_1: ionic strength: 200 mM; pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCNC1isotropicsample_conditions_1
2D 1H-13C HSQC aromaticNC1isotropicsample_conditions_1
3D CBCA(CO)NHNC1isotropicsample_conditions_1
3D C(CO)NHNC1isotropicsample_conditions_1
3D HNCONC1isotropicsample_conditions_1
3D HNCACBNC1isotropicsample_conditions_1
3D HBHA(CO)NHNC1isotropicsample_conditions_1
3D H(CCO)NHNC1isotropicsample_conditions_1
3D HCCH-TOCSYNC1isotropicsample_conditions_1
3D 1H-15N NOESYNC1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticNC1isotropicsample_conditions_1
3D 1H-13C NOESY aromaticNC1isotropicsample_conditions_1
NH J-ModulationPhageanisotropicsample_conditions_1
NH J-ModulationPeganisotropicsample_conditions_1
NH J-ModulationNeutral_Gelanisotropicsample_conditions_1
NC J-ModulationPhageanisotropicsample_conditions_1
NC J-ModulationPeganisotropicsample_conditions_1

Software:

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data analysis

SPARKY, Goddard - chemical shift assignment, peak picking

X-PLOR NIH v2.18, Schwieters, Kuszewski, Tjandra and Clore - refinement

PSVS, Bhattacharya and Montelione - Validation

NMR spectrometers:

  • Varian INOVA 600 MHz

Related Database Links:

PDB
GB ABG59807
REF WP_011585917

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts